Chemical Properties of Toliprolol (CAS 2933-94-0)

InChI

InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3

InChI Key

NXQMNKUGGYNLBY-UHFFFAOYSA-N

Formula

C13H21NO2

SMILES

Cc1cccc(OCC(O)CNC(C)C)c1

Molecular Weight¹

223.31

CAS

2933-94-0

Other Names

• 2-Propanol, 1-[(1-methylethyl)amino]-3-(3-methylphenoxy)-
• 2-Propanol, 1-(isopropylamino)-3-(m-tolyloxy)-
• Isopropylamino-1-m-tolyloxy-3-propan-2-ol
• 1-(Isopropylamino)-3-(m-tolyloxy)-2-propanol
• MHIP
• 5711-18-2 (hydrochloride)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	4.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-328.13	kJ/mol	Joback Calculated Property
ΔfusH°	26.41	kJ/mol	Joback Calculated Property
ΔvapH°	72.22	kJ/mol	Joback Calculated Property
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	1.733		Crippen Calculated Property
McVol	191.990	ml/mol	McGowan Calculated Property
Pc	2388.85	kPa	Joback Calculated Property
Inp	[1721.00; 1721.00]
Inp	1721.00		NIST
Inp	1721.00		NIST
Tboil	692.39	K	Joback Calculated Property
Tc	885.93	K	Joback Calculated Property
Tfus	380.92	K	Joback Calculated Property
Vc	0.716	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.22; 612.06]	J/mol×K	[692.39; 885.93]
Cp,gas	538.22	J/mol×K	692.39	Joback Calculated Property
Cp,gas	552.46	J/mol×K	724.65	Joback Calculated Property
Cp,gas	565.90	J/mol×K	756.90	Joback Calculated Property
Cp,gas	578.56	J/mol×K	789.16	Joback Calculated Property
Cp,gas	590.46	J/mol×K	821.42	Joback Calculated Property
Cp,gas	601.62	J/mol×K	853.68	Joback Calculated Property
Cp,gas	612.06	J/mol×K	885.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Toliprolol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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